SCHEMBL9458438

SCHEMBL9458438

C=CCOc1cc(N)c(Cl)cc1C(=O)NCC12CCCN(CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
HTR4 Q13639 6/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9458342 0.86 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458047 0.84 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9474371 0.84 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458362 0.82 DRD2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458602 0.82 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458257 0.82 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9623137 0.81 DRD2 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9474052 0.80 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10353674 0.72 HTR4 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458245 0.71 DRD4 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5244907-A Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-09-14 US disclosed
US-5190953-A 1-azabicyclo(3.2.1.)octan-5-ylmethyl- or 1-azabicyclo(3.3.1) nonan-5-ylmethyl derivatives of carboxamides, thiocarboxamides or esters, thioesters A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-02 US disclosed